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	hartrees
Energy at 0K	-302.415749
Energy at 298.15K	-302.418939
HF Energy	-301.559357
Nuclear repulsion energy	162.932023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3741	3555	113.17
2	A'	3073	2920	42.74
3	A'	1852	1760	150.42
4	A'	1747	1660	62.98
5	A'	1413	1342	331.67
6	A'	1369	1301	17.21
7	A'	1237	1176	2.35
8	A'	900	855	50.24
9	A'	693	659	15.69
10	A'	508	483	5.08
11	A'	290	276	32.95
12	A"	1014	964	2.11
13	A"	689	655	73.87
14	A"	573	544	43.68
15	A"	182	173	21.82

Atom	x (Å)	y (Å)
C1	-0.749	-0.751
C2	0.000	0.585
O3	-0.144	-1.805
O4	-0.578	1.642
O5	1.330	0.436
H6	-1.848	-0.673
H7	1.483	-0.523

	C1	C2	O3	O4	O5	H6	H7
C1		1.5318	1.2153	2.3993	2.3939	1.1015	2.2438
C2	1.5318		2.3942	1.2049	1.3380	2.2356	1.8512
O3	1.2153	2.3942		3.4742	2.6820	2.0454	2.0714
O4	2.3993	1.2049	3.4742		2.2571	2.6407	2.9893
O5	2.3939	1.3380	2.6820	2.2571		3.3657	0.9711
H6	1.1015	2.2356	2.0454	2.6407	3.3657		3.3343
H7	2.2438	1.8512	2.0714	2.9893	0.9711	3.3343

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.043	C1	C2	O5	112.887
C2	C1	O3	120.851	C2	C1	H6	115.235
C2	O5	H7	105.478	O3	C1	H6	123.914
O4	C2	O5	125.070

All results from a given calculation for CHOCOOH (oxo acetic acid)

using model chemistry: MP2/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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